The structural stability, electronic and optical response of graphene based 2D nanomaterials towards chemotherapeutic drugs pyrazinamide and acetaminophen was investigated for potential biosensing applications. The study investigated the interaction of acetaminophen (N-acetyl-para-aminophenol), commonly known as paracetamol, a prominent water-borne contaminant with new class of 2D materials namely phosphorene and silicene along with graphene and boron nitride (BN) monolayers. The development of a viable method for detection of acetaminophen in drinking water is of prominent importance to meet the environment standards. The study provided atomistic insights on the structure, electronic and optical properties of acetaminophen conjugated 2D materials at the level of van der Waals dispersion correction to DFT (DFT-D2). The theoretical results facilitate the application of 2D nanomaterials beyond graphene as potentialbiosensors for drug delivery and treatment of water-borne drug contaminants from drinking water.

Ujjal Saikia, Nabanita Saikia, Kevin Waters, Ravindra Pandey, Munima B. Sahariah, ChemistrySelect, 2017, 2, 3613-3621.

Nabanita Saikia, Maximilian Seel and Ravindra Pandey, J. Phys. Chem. C, 2016, 120, 20323-20332.